3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3-(2-phenylethanoylamino)propanoic acid

Systemtic Name: 3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3-(2-phenylethanoylamino)propanoic acid Openeye Name: 3-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3-[(2-phenylacetyl)amino]propanoic acid CAS Name: 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(1-oxo-2-phenylethyl)amino]propanoic acid IUPAC Name: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-[(2-phenylacetyl)amino]propanoic acid Traditional Name: 3-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3-[(2-phenylacetyl)amino]propionic acid Formula: C17H14ClF3N2O3 MolecularWeight: 386.75287

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CC(=O)O)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(CC(=O)O)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C17H14ClF3N2O3/c18-12-7-11(17(19,20)21)9-22-16(12)13(8-15(25)26)23-14(24)6-10-4-2-1-3-5-10/h1-5,7,9,13H,6,8H2,(H,23,24)(H,25,26)